USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 602 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj : A 56 ASNHD21 : A 56 ASN OD1 : A 105 LALA :(metal ligand) USER MOD NoAdj : A 56 ASNHD22 : A 56 ASN OD1 : A 105 LALA :(metal ligand) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot -164:sc= -1.16 USER MOD Single : A 16 LYS NZ :NH3+ -136:sc= -0.485 (180deg=-3.56!) USER MOD Single : A 21 ASN : amide:sc= -0.272 K(o=-0.27,f=-1.5) USER MOD Single : A 22 GLN : amide:sc= -3.27 K(o=-3.3,f=-1.2) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 150:sc= -0.138 (180deg=-0.676) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.308 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 90:sc= 0.65 USER MOD Single : A 67 GLN : amide:sc= 0.801 K(o=0.8,f=-0.18) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.396 X(o=-0.4,f=-0.068) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 1.325 0.000 0.000 1.00 0.00 N ATOM 2 CA LYS A 1 2.073 0.000 -1.245 1.00 0.00 C ATOM 3 C LYS A 1 1.143 0.396 -2.394 1.00 0.00 C ATOM 4 O LYS A 1 1.365 1.408 -3.056 1.00 0.00 O ATOM 5 CB LYS A 1 2.768 -1.347 -1.453 1.00 0.00 C ATOM 6 CG LYS A 1 4.218 -1.297 -0.968 1.00 0.00 C ATOM 7 CD LYS A 1 5.190 -1.588 -2.114 1.00 0.00 C ATOM 8 CE LYS A 1 5.664 -0.291 -2.773 1.00 0.00 C ATOM 9 NZ LYS A 1 5.126 -0.181 -4.148 1.00 0.00 N ATOM 0 H1 LYS A 1 1.954 -0.269 0.783 1.00 0.00 H new ATOM 0 H2 LYS A 1 0.942 0.951 0.175 1.00 0.00 H new ATOM 0 H3 LYS A 1 0.543 -0.682 -0.065 1.00 0.00 H new ATOM 0 HA LYS A 1 2.871 0.742 -1.210 1.00 0.00 H new ATOM 0 HB2 LYS A 1 2.228 -2.126 -0.915 1.00 0.00 H new ATOM 0 HB3 LYS A 1 2.743 -1.614 -2.510 1.00 0.00 H new ATOM 0 HG2 LYS A 1 4.431 -0.314 -0.547 1.00 0.00 H new ATOM 0 HG3 LYS A 1 4.363 -2.024 -0.169 1.00 0.00 H new ATOM 0 HD2 LYS A 1 6.049 -2.143 -1.736 1.00 0.00 H new ATOM 0 HD3 LYS A 1 4.704 -2.221 -2.856 1.00 0.00 H new ATOM 0 HE2 LYS A 1 5.340 0.564 -2.180 1.00 0.00 H new ATOM 0 HE3 LYS A 1 6.753 -0.267 -2.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 5.457 0.705 -4.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 5.456 -0.988 -4.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 4.087 -0.183 -4.115 1.00 0.00 H new ATOM 23 N SER A 2 0.122 -0.423 -2.595 1.00 0.00 N ATOM 24 CA SER A 2 -0.843 -0.171 -3.652 1.00 0.00 C ATOM 25 C SER A 2 -1.554 1.160 -3.405 1.00 0.00 C ATOM 26 O SER A 2 -1.782 1.543 -2.258 1.00 0.00 O ATOM 27 CB SER A 2 -1.862 -1.308 -3.750 1.00 0.00 C ATOM 28 OG SER A 2 -1.611 -2.156 -4.868 1.00 0.00 O ATOM 0 H SER A 2 -0.059 -1.262 -2.044 1.00 0.00 H new ATOM 0 HA SER A 2 -0.307 -0.118 -4.599 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.835 -1.898 -2.834 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.865 -0.890 -3.831 1.00 0.00 H new ATOM 0 HG SER A 2 -2.282 -2.870 -4.894 1.00 0.00 H new ATOM 34 N PRO A 3 -1.895 1.847 -4.528 1.00 0.00 N ATOM 35 CA PRO A 3 -2.577 3.128 -4.445 1.00 0.00 C ATOM 36 C PRO A 3 -4.048 2.942 -4.069 1.00 0.00 C ATOM 37 O PRO A 3 -4.584 3.692 -3.255 1.00 0.00 O ATOM 38 CB PRO A 3 -2.388 3.764 -5.812 1.00 0.00 C ATOM 39 CG PRO A 3 -2.013 2.629 -6.752 1.00 0.00 C ATOM 40 CD PRO A 3 -1.642 1.424 -5.903 1.00 0.00 C ATOM 0 HA PRO A 3 -2.172 3.771 -3.663 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -3.301 4.259 -6.142 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -1.606 4.523 -5.785 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -2.847 2.389 -7.412 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -1.177 2.920 -7.388 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -2.243 0.554 -6.167 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -0.598 1.145 -6.046 1.00 0.00 H new ATOM 48 N GLU A 4 -4.660 1.939 -4.682 1.00 0.00 N ATOM 49 CA GLU A 4 -6.059 1.646 -4.423 1.00 0.00 C ATOM 50 C GLU A 4 -6.263 1.294 -2.948 1.00 0.00 C ATOM 51 O GLU A 4 -7.331 1.541 -2.389 1.00 0.00 O ATOM 52 CB GLU A 4 -6.561 0.521 -5.329 1.00 0.00 C ATOM 53 CG GLU A 4 -7.852 0.926 -6.044 1.00 0.00 C ATOM 54 CD GLU A 4 -9.071 0.285 -5.378 1.00 0.00 C ATOM 55 OE1 GLU A 4 -9.169 -0.959 -5.451 1.00 0.00 O ATOM 56 OE2 GLU A 4 -9.878 1.054 -4.812 1.00 0.00 O ATOM 0 H GLU A 4 -4.212 1.319 -5.357 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.644 2.538 -4.648 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.796 0.273 -6.065 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.736 -0.377 -4.737 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.954 2.011 -6.031 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.803 0.623 -7.090 1.00 0.00 H new ATOM 63 N GLU A 5 -5.223 0.722 -2.359 1.00 0.00 N ATOM 64 CA GLU A 5 -5.275 0.334 -0.960 1.00 0.00 C ATOM 65 C GLU A 5 -5.393 1.572 -0.070 1.00 0.00 C ATOM 66 O GLU A 5 -6.056 1.535 0.966 1.00 0.00 O ATOM 67 CB GLU A 5 -4.051 -0.502 -0.578 1.00 0.00 C ATOM 68 CG GLU A 5 -4.393 -1.993 -0.548 1.00 0.00 C ATOM 69 CD GLU A 5 -3.756 -2.678 0.663 1.00 0.00 C ATOM 70 OE1 GLU A 5 -4.161 -2.326 1.792 1.00 0.00 O ATOM 71 OE2 GLU A 5 -2.879 -3.538 0.432 1.00 0.00 O ATOM 0 H GLU A 5 -4.339 0.518 -2.826 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.159 -0.285 -0.807 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.247 -0.324 -1.292 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -3.684 -0.190 0.400 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.475 -2.121 -0.515 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -4.044 -2.468 -1.465 1.00 0.00 H new ATOM 78 N LEU A 6 -4.740 2.639 -0.505 1.00 0.00 N ATOM 79 CA LEU A 6 -4.764 3.887 0.240 1.00 0.00 C ATOM 80 C LEU A 6 -6.213 4.350 0.404 1.00 0.00 C ATOM 81 O LEU A 6 -6.599 4.825 1.471 1.00 0.00 O ATOM 82 CB LEU A 6 -3.857 4.925 -0.424 1.00 0.00 C ATOM 83 CG LEU A 6 -2.364 4.592 -0.452 1.00 0.00 C ATOM 84 CD1 LEU A 6 -1.627 5.464 -1.470 1.00 0.00 C ATOM 85 CD2 LEU A 6 -1.752 4.700 0.946 1.00 0.00 C ATOM 0 H LEU A 6 -4.191 2.666 -1.364 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.361 3.741 1.242 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.196 5.071 -1.450 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.987 5.876 0.093 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.251 3.557 -0.774 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.568 5.207 -1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.042 5.293 -2.463 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.746 6.514 -1.203 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.690 4.458 0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.876 5.716 1.320 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.253 4.002 1.617 1.00 0.00 H new ATOM 97 N LYS A 7 -6.975 4.196 -0.669 1.00 0.00 N ATOM 98 CA LYS A 7 -8.373 4.593 -0.657 1.00 0.00 C ATOM 99 C LYS A 7 -9.162 3.637 0.240 1.00 0.00 C ATOM 100 O LYS A 7 -9.909 4.075 1.114 1.00 0.00 O ATOM 101 CB LYS A 7 -8.915 4.686 -2.085 1.00 0.00 C ATOM 102 CG LYS A 7 -9.901 5.847 -2.222 1.00 0.00 C ATOM 103 CD LYS A 7 -11.324 5.334 -2.455 1.00 0.00 C ATOM 104 CE LYS A 7 -11.548 4.987 -3.928 1.00 0.00 C ATOM 105 NZ LYS A 7 -12.554 3.909 -4.060 1.00 0.00 N ATOM 0 H LYS A 7 -6.651 3.802 -1.552 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.483 5.591 -0.233 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -8.089 4.821 -2.783 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -9.408 3.752 -2.352 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -9.875 6.459 -1.321 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.601 6.487 -3.052 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -11.502 4.452 -1.839 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -12.043 6.091 -2.143 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -11.882 5.872 -4.469 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -10.608 4.672 -4.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -12.694 3.686 -5.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -12.221 3.060 -3.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -13.455 4.223 -3.646 1.00 0.00 H new ATOM 119 N GLY A 8 -8.970 2.350 -0.008 1.00 0.00 N ATOM 120 CA GLY A 8 -9.655 1.329 0.767 1.00 0.00 C ATOM 121 C GLY A 8 -9.384 1.502 2.263 1.00 0.00 C ATOM 122 O GLY A 8 -10.311 1.705 3.045 1.00 0.00 O ATOM 0 H GLY A 8 -8.350 1.991 -0.734 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.727 1.383 0.579 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -9.325 0.341 0.446 1.00 0.00 H new ATOM 126 N ILE A 9 -8.110 1.414 2.615 1.00 0.00 N ATOM 127 CA ILE A 9 -7.706 1.558 4.003 1.00 0.00 C ATOM 128 C ILE A 9 -8.256 2.875 4.556 1.00 0.00 C ATOM 129 O ILE A 9 -8.817 2.906 5.650 1.00 0.00 O ATOM 130 CB ILE A 9 -6.187 1.422 4.136 1.00 0.00 C ATOM 131 CG1 ILE A 9 -5.766 -0.049 4.128 1.00 0.00 C ATOM 132 CG2 ILE A 9 -5.677 2.158 5.376 1.00 0.00 C ATOM 133 CD1 ILE A 9 -4.286 -0.197 4.488 1.00 0.00 C ATOM 0 H ILE A 9 -7.344 1.245 1.963 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.129 0.756 4.608 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.724 1.894 3.269 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -6.375 -0.609 4.838 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.949 -0.478 3.143 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.595 2.045 5.447 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.927 3.216 5.300 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.144 1.738 6.266 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.012 -1.252 4.475 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.679 0.344 3.762 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.111 0.211 5.483 1.00 0.00 H new ATOM 145 N PHE A 10 -8.076 3.929 3.774 1.00 0.00 N ATOM 146 CA PHE A 10 -8.547 5.245 4.172 1.00 0.00 C ATOM 147 C PHE A 10 -10.018 5.196 4.593 1.00 0.00 C ATOM 148 O PHE A 10 -10.365 5.612 5.697 1.00 0.00 O ATOM 149 CB PHE A 10 -8.408 6.157 2.952 1.00 0.00 C ATOM 150 CG PHE A 10 -9.346 7.366 2.969 1.00 0.00 C ATOM 151 CD1 PHE A 10 -10.610 7.253 2.477 1.00 0.00 C ATOM 152 CD2 PHE A 10 -8.917 8.553 3.475 1.00 0.00 C ATOM 153 CE1 PHE A 10 -11.480 8.375 2.493 1.00 0.00 C ATOM 154 CE2 PHE A 10 -9.788 9.675 3.491 1.00 0.00 C ATOM 155 CZ PHE A 10 -11.051 9.562 3.000 1.00 0.00 C ATOM 0 H PHE A 10 -7.611 3.899 2.867 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.966 5.608 5.020 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -7.378 6.510 2.890 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -8.600 5.574 2.051 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -10.951 6.311 2.075 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -7.914 8.643 3.865 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -12.483 8.286 2.102 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -9.447 10.618 3.893 1.00 0.00 H new ATOM 0 HZ PHE A 10 -11.714 10.415 3.013 1.00 0.00 H new ATOM 165 N GLU A 11 -10.842 4.685 3.690 1.00 0.00 N ATOM 166 CA GLU A 11 -12.267 4.577 3.954 1.00 0.00 C ATOM 167 C GLU A 11 -12.516 3.662 5.155 1.00 0.00 C ATOM 168 O GLU A 11 -13.428 3.903 5.944 1.00 0.00 O ATOM 169 CB GLU A 11 -13.017 4.076 2.718 1.00 0.00 C ATOM 170 CG GLU A 11 -14.040 5.109 2.242 1.00 0.00 C ATOM 171 CD GLU A 11 -15.351 4.433 1.834 1.00 0.00 C ATOM 172 OE1 GLU A 11 -15.805 3.562 2.607 1.00 0.00 O ATOM 173 OE2 GLU A 11 -15.870 4.804 0.759 1.00 0.00 O ATOM 0 H GLU A 11 -10.550 4.341 2.775 1.00 0.00 H new ATOM 0 HA GLU A 11 -12.649 5.570 4.193 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.307 3.866 1.918 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -13.522 3.138 2.950 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -14.230 5.831 3.036 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.635 5.665 1.397 1.00 0.00 H new ATOM 180 N LYS A 12 -11.689 2.632 5.256 1.00 0.00 N ATOM 181 CA LYS A 12 -11.809 1.680 6.347 1.00 0.00 C ATOM 182 C LYS A 12 -11.654 2.416 7.679 1.00 0.00 C ATOM 183 O LYS A 12 -12.204 1.992 8.694 1.00 0.00 O ATOM 184 CB LYS A 12 -10.820 0.527 6.163 1.00 0.00 C ATOM 185 CG LYS A 12 -11.120 -0.614 7.137 1.00 0.00 C ATOM 186 CD LYS A 12 -9.873 -0.993 7.938 1.00 0.00 C ATOM 187 CE LYS A 12 -10.231 -1.916 9.105 1.00 0.00 C ATOM 188 NZ LYS A 12 -9.009 -2.334 9.829 1.00 0.00 N ATOM 0 H LYS A 12 -10.933 2.436 4.600 1.00 0.00 H new ATOM 0 HA LYS A 12 -12.799 1.224 6.347 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.872 0.158 5.139 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.803 0.887 6.321 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.917 -0.316 7.818 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.480 -1.482 6.586 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.154 -1.488 7.286 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.392 -0.091 8.317 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.908 -1.403 9.788 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.759 -2.794 8.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.270 -2.960 10.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.377 -2.842 9.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.521 -1.494 10.200 1.00 0.00 H new ATOM 202 N TYR A 13 -10.902 3.506 7.632 1.00 0.00 N ATOM 203 CA TYR A 13 -10.668 4.305 8.823 1.00 0.00 C ATOM 204 C TYR A 13 -11.653 5.474 8.902 1.00 0.00 C ATOM 205 O TYR A 13 -12.147 5.803 9.979 1.00 0.00 O ATOM 206 CB TYR A 13 -9.248 4.859 8.687 1.00 0.00 C ATOM 207 CG TYR A 13 -8.173 3.979 9.328 1.00 0.00 C ATOM 208 CD1 TYR A 13 -7.747 2.834 8.687 1.00 0.00 C ATOM 209 CD2 TYR A 13 -7.630 4.331 10.547 1.00 0.00 C ATOM 210 CE1 TYR A 13 -6.735 2.006 9.290 1.00 0.00 C ATOM 211 CE2 TYR A 13 -6.618 3.502 11.150 1.00 0.00 C ATOM 212 CZ TYR A 13 -6.220 2.381 10.492 1.00 0.00 C ATOM 213 OH TYR A 13 -5.265 1.599 11.061 1.00 0.00 O ATOM 0 H TYR A 13 -10.447 3.854 6.788 1.00 0.00 H new ATOM 0 HA TYR A 13 -10.797 3.701 9.721 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -9.017 4.984 7.629 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -9.210 5.849 9.141 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -8.172 2.559 7.733 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -7.964 5.227 11.049 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -6.392 1.107 8.799 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.185 3.765 12.104 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.172 1.833 12.008 1.00 0.00 H new ATOM 223 N ALA A 14 -11.910 6.069 7.746 1.00 0.00 N ATOM 224 CA ALA A 14 -12.827 7.193 7.671 1.00 0.00 C ATOM 225 C ALA A 14 -14.239 6.718 8.017 1.00 0.00 C ATOM 226 O ALA A 14 -15.075 7.509 8.451 1.00 0.00 O ATOM 227 CB ALA A 14 -12.749 7.823 6.278 1.00 0.00 C ATOM 0 H ALA A 14 -11.499 5.794 6.854 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.552 7.962 8.393 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -13.437 8.667 6.221 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -11.733 8.170 6.092 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.022 7.081 5.527 1.00 0.00 H new ATOM 233 N ALA A 15 -14.462 5.428 7.813 1.00 0.00 N ATOM 234 CA ALA A 15 -15.759 4.838 8.098 1.00 0.00 C ATOM 235 C ALA A 15 -15.843 4.500 9.588 1.00 0.00 C ATOM 236 O ALA A 15 -16.936 4.356 10.135 1.00 0.00 O ATOM 237 CB ALA A 15 -15.969 3.611 7.209 1.00 0.00 C ATOM 0 H ALA A 15 -13.766 4.775 7.454 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.559 5.543 7.873 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.942 3.169 7.423 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.929 3.909 6.161 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.186 2.879 7.408 1.00 0.00 H new ATOM 243 N LYS A 16 -14.676 4.382 10.203 1.00 0.00 N ATOM 244 CA LYS A 16 -14.604 4.063 11.619 1.00 0.00 C ATOM 245 C LYS A 16 -15.441 5.072 12.407 1.00 0.00 C ATOM 246 O LYS A 16 -16.450 4.710 13.011 1.00 0.00 O ATOM 247 CB LYS A 16 -13.146 3.982 12.076 1.00 0.00 C ATOM 248 CG LYS A 16 -12.883 2.683 12.841 1.00 0.00 C ATOM 249 CD LYS A 16 -11.546 2.745 13.583 1.00 0.00 C ATOM 250 CE LYS A 16 -11.598 1.928 14.875 1.00 0.00 C ATOM 251 NZ LYS A 16 -10.234 1.716 15.409 1.00 0.00 N ATOM 0 H LYS A 16 -13.772 4.502 9.747 1.00 0.00 H new ATOM 0 HA LYS A 16 -15.029 3.078 11.810 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -12.486 4.039 11.210 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -12.912 4.836 12.711 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -13.690 2.506 13.552 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -12.879 1.842 12.147 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -10.751 2.366 12.940 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.302 3.782 13.814 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -12.208 2.445 15.615 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -12.074 0.966 14.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.130 0.727 15.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.535 1.925 14.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.077 2.347 16.221 1.00 0.00 H new ATOM 265 N GLU A 17 -14.991 6.318 12.376 1.00 0.00 N ATOM 266 CA GLU A 17 -15.686 7.382 13.081 1.00 0.00 C ATOM 267 C GLU A 17 -16.227 8.412 12.087 1.00 0.00 C ATOM 268 O GLU A 17 -15.491 8.898 11.229 1.00 0.00 O ATOM 269 CB GLU A 17 -14.772 8.044 14.114 1.00 0.00 C ATOM 270 CG GLU A 17 -14.655 7.184 15.374 1.00 0.00 C ATOM 271 CD GLU A 17 -14.890 8.022 16.633 1.00 0.00 C ATOM 272 OE1 GLU A 17 -16.057 8.419 16.841 1.00 0.00 O ATOM 273 OE2 GLU A 17 -13.897 8.246 17.359 1.00 0.00 O ATOM 0 H GLU A 17 -14.154 6.614 11.874 1.00 0.00 H new ATOM 0 HA GLU A 17 -16.529 6.946 13.617 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -13.783 8.200 13.683 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -15.164 9.027 14.375 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -15.380 6.372 15.333 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.666 6.727 15.416 1.00 0.00 H new ATOM 280 N GLY A 18 -17.508 8.715 12.235 1.00 0.00 N ATOM 281 CA GLY A 18 -18.156 9.678 11.361 1.00 0.00 C ATOM 282 C GLY A 18 -18.177 9.179 9.915 1.00 0.00 C ATOM 283 O GLY A 18 -17.692 8.087 9.625 1.00 0.00 O ATOM 0 H GLY A 18 -18.115 8.310 12.948 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -19.176 9.856 11.703 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -17.631 10.632 11.413 1.00 0.00 H new ATOM 287 N ASP A 19 -18.745 10.003 9.047 1.00 0.00 N ATOM 288 CA ASP A 19 -18.836 9.659 7.638 1.00 0.00 C ATOM 289 C ASP A 19 -17.431 9.409 7.087 1.00 0.00 C ATOM 290 O ASP A 19 -16.501 10.156 7.386 1.00 0.00 O ATOM 291 CB ASP A 19 -19.465 10.797 6.832 1.00 0.00 C ATOM 292 CG ASP A 19 -20.209 10.361 5.569 1.00 0.00 C ATOM 293 OD1 ASP A 19 -19.512 10.023 4.588 1.00 0.00 O ATOM 294 OD2 ASP A 19 -21.458 10.375 5.612 1.00 0.00 O ATOM 0 H ASP A 19 -19.147 10.908 9.292 1.00 0.00 H new ATOM 0 HA ASP A 19 -19.457 8.768 7.548 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -20.159 11.338 7.476 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -18.680 11.499 6.549 1.00 0.00 H new ATOM 299 N PRO A 20 -17.318 8.328 6.270 1.00 0.00 N ATOM 300 CA PRO A 20 -16.041 7.970 5.674 1.00 0.00 C ATOM 301 C PRO A 20 -15.688 8.918 4.526 1.00 0.00 C ATOM 302 O PRO A 20 -14.644 8.770 3.893 1.00 0.00 O ATOM 303 CB PRO A 20 -16.208 6.528 5.223 1.00 0.00 C ATOM 304 CG PRO A 20 -17.706 6.281 5.161 1.00 0.00 C ATOM 305 CD PRO A 20 -18.397 7.420 5.893 1.00 0.00 C ATOM 0 HA PRO A 20 -15.210 8.061 6.373 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -15.745 6.367 4.249 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -15.728 5.842 5.921 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -18.042 6.233 4.125 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -17.955 5.325 5.621 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -19.127 7.916 5.254 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -18.935 7.059 6.770 1.00 0.00 H new ATOM 313 N ASN A 21 -16.578 9.871 4.292 1.00 0.00 N ATOM 314 CA ASN A 21 -16.373 10.843 3.232 1.00 0.00 C ATOM 315 C ASN A 21 -15.602 12.043 3.787 1.00 0.00 C ATOM 316 O ASN A 21 -15.223 12.942 3.038 1.00 0.00 O ATOM 317 CB ASN A 21 -17.708 11.351 2.685 1.00 0.00 C ATOM 318 CG ASN A 21 -18.414 10.268 1.867 1.00 0.00 C ATOM 319 OD1 ASN A 21 -17.873 9.209 1.594 1.00 0.00 O ATOM 320 ND2 ASN A 21 -19.649 10.590 1.493 1.00 0.00 N ATOM 0 H ASN A 21 -17.443 9.991 4.819 1.00 0.00 H new ATOM 0 HA ASN A 21 -15.817 10.356 2.431 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -18.348 11.663 3.510 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -17.539 12.230 2.062 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -20.203 9.933 0.944 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -20.042 11.494 1.755 1.00 0.00 H new ATOM 327 N GLN A 22 -15.393 12.017 5.095 1.00 0.00 N ATOM 328 CA GLN A 22 -14.674 13.091 5.759 1.00 0.00 C ATOM 329 C GLN A 22 -13.791 12.528 6.875 1.00 0.00 C ATOM 330 O GLN A 22 -14.260 11.764 7.716 1.00 0.00 O ATOM 331 CB GLN A 22 -15.642 14.143 6.304 1.00 0.00 C ATOM 332 CG GLN A 22 -16.862 13.484 6.951 1.00 0.00 C ATOM 333 CD GLN A 22 -18.157 13.962 6.292 1.00 0.00 C ATOM 334 OE1 GLN A 22 -18.998 14.600 6.906 1.00 0.00 O ATOM 335 NE2 GLN A 22 -18.272 13.620 5.012 1.00 0.00 N ATOM 0 H GLN A 22 -15.709 11.269 5.713 1.00 0.00 H new ATOM 0 HA GLN A 22 -14.032 13.580 5.026 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -15.131 14.768 7.036 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -15.965 14.799 5.495 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -16.784 12.400 6.863 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -16.884 13.717 8.016 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -17.531 13.085 4.558 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -19.101 13.892 4.484 1.00 0.00 H new ATOM 344 N LEU A 23 -12.529 12.929 6.846 1.00 0.00 N ATOM 345 CA LEU A 23 -11.576 12.474 7.844 1.00 0.00 C ATOM 346 C LEU A 23 -11.623 13.412 9.052 1.00 0.00 C ATOM 347 O LEU A 23 -12.062 14.556 8.938 1.00 0.00 O ATOM 348 CB LEU A 23 -10.182 12.332 7.229 1.00 0.00 C ATOM 349 CG LEU A 23 -9.896 11.010 6.515 1.00 0.00 C ATOM 350 CD1 LEU A 23 -9.395 9.952 7.501 1.00 0.00 C ATOM 351 CD2 LEU A 23 -11.121 10.531 5.734 1.00 0.00 C ATOM 0 H LEU A 23 -12.144 13.564 6.147 1.00 0.00 H new ATOM 0 HA LEU A 23 -11.844 11.480 8.201 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -10.036 13.145 6.518 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -9.443 12.463 8.019 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.099 11.179 5.791 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.199 9.022 6.968 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.476 10.300 7.973 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.152 9.779 8.266 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.890 9.589 5.236 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -11.955 10.384 6.420 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -11.392 11.278 4.988 1.00 0.00 H new ATOM 363 N SER A 24 -11.164 12.894 10.181 1.00 0.00 N ATOM 364 CA SER A 24 -11.147 13.671 11.409 1.00 0.00 C ATOM 365 C SER A 24 -9.804 13.498 12.120 1.00 0.00 C ATOM 366 O SER A 24 -9.021 12.616 11.770 1.00 0.00 O ATOM 367 CB SER A 24 -12.295 13.262 12.335 1.00 0.00 C ATOM 368 OG SER A 24 -13.561 13.357 11.689 1.00 0.00 O ATOM 0 H SER A 24 -10.801 11.945 10.272 1.00 0.00 H new ATOM 0 HA SER A 24 -11.281 14.722 11.151 1.00 0.00 H new ATOM 0 HB2 SER A 24 -12.138 12.239 12.677 1.00 0.00 H new ATOM 0 HB3 SER A 24 -12.291 13.898 13.220 1.00 0.00 H new ATOM 0 HG SER A 24 -14.267 13.086 12.312 1.00 0.00 H new ATOM 374 N LYS A 25 -9.578 14.353 13.107 1.00 0.00 N ATOM 375 CA LYS A 25 -8.343 14.306 13.870 1.00 0.00 C ATOM 376 C LYS A 25 -8.182 12.915 14.486 1.00 0.00 C ATOM 377 O LYS A 25 -7.195 12.228 14.228 1.00 0.00 O ATOM 378 CB LYS A 25 -8.303 15.441 14.896 1.00 0.00 C ATOM 379 CG LYS A 25 -6.928 15.531 15.560 1.00 0.00 C ATOM 380 CD LYS A 25 -7.047 16.025 17.004 1.00 0.00 C ATOM 381 CE LYS A 25 -6.184 17.267 17.232 1.00 0.00 C ATOM 382 NZ LYS A 25 -6.420 17.821 18.584 1.00 0.00 N ATOM 0 H LYS A 25 -10.230 15.082 13.396 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.486 14.467 13.217 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.537 16.387 14.407 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.068 15.277 15.655 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.448 14.552 15.545 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.290 16.208 14.992 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.088 16.255 17.228 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.741 15.234 17.689 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.131 17.012 17.116 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.414 18.020 16.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.826 18.664 18.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.422 18.083 18.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.178 17.106 19.299 1.00 0.00 H new ATOM 396 N GLU A 26 -9.168 12.540 15.289 1.00 0.00 N ATOM 397 CA GLU A 26 -9.148 11.243 15.943 1.00 0.00 C ATOM 398 C GLU A 26 -9.059 10.125 14.903 1.00 0.00 C ATOM 399 O GLU A 26 -8.307 9.168 15.078 1.00 0.00 O ATOM 400 CB GLU A 26 -10.375 11.063 16.839 1.00 0.00 C ATOM 401 CG GLU A 26 -9.963 10.849 18.297 1.00 0.00 C ATOM 402 CD GLU A 26 -10.723 9.674 18.915 1.00 0.00 C ATOM 403 OE1 GLU A 26 -10.251 8.532 18.730 1.00 0.00 O ATOM 404 OE2 GLU A 26 -11.760 9.945 19.560 1.00 0.00 O ATOM 0 H GLU A 26 -9.985 13.112 15.501 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.264 11.191 16.578 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.016 11.941 16.764 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.960 10.210 16.494 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.891 10.662 18.352 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.158 11.755 18.871 1.00 0.00 H new ATOM 411 N GLU A 27 -9.838 10.283 13.843 1.00 0.00 N ATOM 412 CA GLU A 27 -9.857 9.299 12.774 1.00 0.00 C ATOM 413 C GLU A 27 -8.466 9.166 12.150 1.00 0.00 C ATOM 414 O GLU A 27 -7.901 8.075 12.111 1.00 0.00 O ATOM 415 CB GLU A 27 -10.901 9.658 11.715 1.00 0.00 C ATOM 416 CG GLU A 27 -12.228 8.949 11.991 1.00 0.00 C ATOM 417 CD GLU A 27 -12.984 8.674 10.689 1.00 0.00 C ATOM 418 OE1 GLU A 27 -12.937 9.559 9.808 1.00 0.00 O ATOM 419 OE2 GLU A 27 -13.590 7.584 10.605 1.00 0.00 O ATOM 0 H GLU A 27 -10.461 11.078 13.702 1.00 0.00 H new ATOM 0 HA GLU A 27 -10.137 8.335 13.200 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.056 10.737 11.704 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -10.534 9.378 10.728 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.041 8.010 12.513 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.842 9.563 12.650 1.00 0.00 H new ATOM 426 N LEU A 28 -7.955 10.294 11.677 1.00 0.00 N ATOM 427 CA LEU A 28 -6.642 10.317 11.056 1.00 0.00 C ATOM 428 C LEU A 28 -5.613 9.734 12.027 1.00 0.00 C ATOM 429 O LEU A 28 -4.766 8.934 11.633 1.00 0.00 O ATOM 430 CB LEU A 28 -6.302 11.729 10.575 1.00 0.00 C ATOM 431 CG LEU A 28 -5.276 11.824 9.443 1.00 0.00 C ATOM 432 CD1 LEU A 28 -5.133 10.483 8.720 1.00 0.00 C ATOM 433 CD2 LEU A 28 -5.626 12.960 8.480 1.00 0.00 C ATOM 0 H LEU A 28 -8.427 11.198 11.712 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.631 9.690 10.165 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.223 12.211 10.245 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.930 12.301 11.425 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.306 12.060 9.880 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.398 10.577 7.920 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.804 9.722 9.427 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.095 10.193 8.297 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.881 13.006 7.685 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.609 12.779 8.046 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.637 13.906 9.022 1.00 0.00 H new ATOM 445 N LYS A 29 -5.721 10.158 13.278 1.00 0.00 N ATOM 446 CA LYS A 29 -4.810 9.688 14.308 1.00 0.00 C ATOM 447 C LYS A 29 -4.598 8.182 14.146 1.00 0.00 C ATOM 448 O LYS A 29 -3.463 7.719 14.038 1.00 0.00 O ATOM 449 CB LYS A 29 -5.316 10.092 15.694 1.00 0.00 C ATOM 450 CG LYS A 29 -4.339 9.647 16.785 1.00 0.00 C ATOM 451 CD LYS A 29 -4.491 10.507 18.041 1.00 0.00 C ATOM 452 CE LYS A 29 -4.051 9.739 19.289 1.00 0.00 C ATOM 453 NZ LYS A 29 -5.196 9.538 20.205 1.00 0.00 N ATOM 0 H LYS A 29 -6.425 10.821 13.601 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.834 10.161 14.199 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.447 11.173 15.737 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.294 9.646 15.872 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.517 8.601 17.033 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.317 9.717 16.413 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.895 11.414 17.939 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.530 10.819 18.149 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.634 8.774 19.001 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.260 10.288 19.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.880 9.015 21.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.576 10.462 20.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.938 8.995 19.719 1.00 0.00 H new ATOM 467 N LEU A 30 -5.707 7.458 14.135 1.00 0.00 N ATOM 468 CA LEU A 30 -5.657 6.013 13.988 1.00 0.00 C ATOM 469 C LEU A 30 -4.842 5.660 12.742 1.00 0.00 C ATOM 470 O LEU A 30 -3.849 4.938 12.829 1.00 0.00 O ATOM 471 CB LEU A 30 -7.069 5.425 13.986 1.00 0.00 C ATOM 472 CG LEU A 30 -7.914 5.707 15.230 1.00 0.00 C ATOM 473 CD1 LEU A 30 -9.113 4.758 15.305 1.00 0.00 C ATOM 474 CD2 LEU A 30 -7.060 5.651 16.498 1.00 0.00 C ATOM 0 H LEU A 30 -6.646 7.845 14.226 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.150 5.561 14.840 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.600 5.809 13.115 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.991 4.345 13.861 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.308 6.720 15.152 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.697 4.980 16.198 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.737 4.890 14.421 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.759 3.728 15.349 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.685 5.855 17.367 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.617 4.660 16.595 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.269 6.398 16.437 1.00 0.00 H new ATOM 486 N LEU A 31 -5.291 6.184 11.612 1.00 0.00 N ATOM 487 CA LEU A 31 -4.616 5.933 10.350 1.00 0.00 C ATOM 488 C LEU A 31 -3.122 6.221 10.509 1.00 0.00 C ATOM 489 O LEU A 31 -2.297 5.316 10.398 1.00 0.00 O ATOM 490 CB LEU A 31 -5.278 6.726 9.221 1.00 0.00 C ATOM 491 CG LEU A 31 -5.078 6.176 7.807 1.00 0.00 C ATOM 492 CD1 LEU A 31 -6.422 5.934 7.118 1.00 0.00 C ATOM 493 CD2 LEU A 31 -4.169 7.092 6.986 1.00 0.00 C ATOM 0 H LEU A 31 -6.115 6.782 11.543 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.711 4.884 10.070 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.348 6.779 9.421 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.897 7.747 9.249 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.577 5.211 7.883 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.251 5.543 6.115 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.002 5.213 7.694 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.972 6.873 7.053 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.043 6.678 5.986 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.619 8.082 6.915 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.196 7.169 7.471 1.00 0.00 H new ATOM 505 N LEU A 32 -2.820 7.485 10.768 1.00 0.00 N ATOM 506 CA LEU A 32 -1.440 7.903 10.944 1.00 0.00 C ATOM 507 C LEU A 32 -0.733 6.929 11.889 1.00 0.00 C ATOM 508 O LEU A 32 0.491 6.805 11.857 1.00 0.00 O ATOM 509 CB LEU A 32 -1.376 9.361 11.403 1.00 0.00 C ATOM 510 CG LEU A 32 -2.082 10.378 10.504 1.00 0.00 C ATOM 511 CD1 LEU A 32 -2.244 11.722 11.218 1.00 0.00 C ATOM 512 CD2 LEU A 32 -1.356 10.525 9.165 1.00 0.00 C ATOM 0 H LEU A 32 -3.507 8.233 10.860 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.908 7.869 9.994 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.808 9.426 12.401 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.328 9.648 11.490 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.083 10.005 10.288 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.749 12.427 10.557 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.837 11.584 12.122 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.262 12.113 11.484 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.879 11.254 8.546 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.335 10.864 9.340 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.336 9.562 8.654 1.00 0.00 H new ATOM 524 N GLN A 33 -1.533 6.264 12.709 1.00 0.00 N ATOM 525 CA GLN A 33 -1.000 5.305 13.661 1.00 0.00 C ATOM 526 C GLN A 33 -0.462 4.074 12.930 1.00 0.00 C ATOM 527 O GLN A 33 0.735 3.796 12.973 1.00 0.00 O ATOM 528 CB GLN A 33 -2.058 4.912 14.694 1.00 0.00 C ATOM 529 CG GLN A 33 -1.465 4.885 16.104 1.00 0.00 C ATOM 530 CD GLN A 33 -2.506 4.429 17.128 1.00 0.00 C ATOM 531 OE1 GLN A 33 -2.878 3.269 17.200 1.00 0.00 O ATOM 532 NE2 GLN A 33 -2.954 5.403 17.915 1.00 0.00 N ATOM 0 H GLN A 33 -2.547 6.371 12.734 1.00 0.00 H new ATOM 0 HA GLN A 33 -0.174 5.774 14.196 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.887 5.619 14.658 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.465 3.931 14.448 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.607 4.213 16.129 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.100 5.878 16.368 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -2.601 6.353 17.802 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.651 5.200 18.632 1.00 0.00 H new ATOM 541 N THR A 34 -1.374 3.368 12.277 1.00 0.00 N ATOM 542 CA THR A 34 -1.006 2.173 11.538 1.00 0.00 C ATOM 543 C THR A 34 -0.419 2.547 10.175 1.00 0.00 C ATOM 544 O THR A 34 0.645 2.058 9.798 1.00 0.00 O ATOM 545 CB THR A 34 -2.243 1.277 11.441 1.00 0.00 C ATOM 546 OG1 THR A 34 -2.005 0.252 12.401 1.00 0.00 O ATOM 547 CG2 THR A 34 -2.321 0.530 10.108 1.00 0.00 C ATOM 0 H THR A 34 -2.367 3.601 12.245 1.00 0.00 H new ATOM 0 HA THR A 34 -0.223 1.616 12.052 1.00 0.00 H new ATOM 0 HB THR A 34 -3.141 1.881 11.571 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.760 -0.373 12.406 1.00 0.00 H new ATOM 0 HG21 THR A 34 -3.217 -0.091 10.091 1.00 0.00 H new ATOM 0 HG22 THR A 34 -2.362 1.249 9.290 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.440 -0.101 9.992 1.00 0.00 H new ATOM 555 N GLU A 35 -1.137 3.411 9.474 1.00 0.00 N ATOM 556 CA GLU A 35 -0.701 3.857 8.162 1.00 0.00 C ATOM 557 C GLU A 35 0.776 4.255 8.201 1.00 0.00 C ATOM 558 O GLU A 35 1.596 3.682 7.484 1.00 0.00 O ATOM 559 CB GLU A 35 -1.567 5.014 7.660 1.00 0.00 C ATOM 560 CG GLU A 35 -1.012 5.589 6.355 1.00 0.00 C ATOM 561 CD GLU A 35 -0.877 7.110 6.439 1.00 0.00 C ATOM 562 OE1 GLU A 35 -0.669 7.600 7.571 1.00 0.00 O ATOM 563 OE2 GLU A 35 -0.985 7.750 5.371 1.00 0.00 O ATOM 0 H GLU A 35 -2.019 3.815 9.790 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.817 3.030 7.462 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.588 4.667 7.503 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.609 5.797 8.417 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.039 5.145 6.143 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.670 5.324 5.528 1.00 0.00 H new ATOM 570 N PHE A 36 1.071 5.233 9.045 1.00 0.00 N ATOM 571 CA PHE A 36 2.435 5.713 9.186 1.00 0.00 C ATOM 572 C PHE A 36 2.677 6.269 10.591 1.00 0.00 C ATOM 573 O PHE A 36 2.485 7.459 10.833 1.00 0.00 O ATOM 574 CB PHE A 36 2.620 6.839 8.167 1.00 0.00 C ATOM 575 CG PHE A 36 2.698 6.358 6.716 1.00 0.00 C ATOM 576 CD1 PHE A 36 3.480 5.293 6.394 1.00 0.00 C ATOM 577 CD2 PHE A 36 1.986 6.995 5.749 1.00 0.00 C ATOM 578 CE1 PHE A 36 3.553 4.846 5.048 1.00 0.00 C ATOM 579 CE2 PHE A 36 2.058 6.549 4.403 1.00 0.00 C ATOM 580 CZ PHE A 36 2.840 5.484 4.081 1.00 0.00 C ATOM 0 H PHE A 36 0.389 5.706 9.638 1.00 0.00 H new ATOM 0 HA PHE A 36 3.137 4.895 9.021 1.00 0.00 H new ATOM 0 HB2 PHE A 36 1.792 7.541 8.262 1.00 0.00 H new ATOM 0 HB3 PHE A 36 3.531 7.387 8.407 1.00 0.00 H new ATOM 0 HD1 PHE A 36 4.046 4.787 7.162 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.365 7.841 6.005 1.00 0.00 H new ATOM 0 HE1 PHE A 36 4.174 4.000 4.792 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.492 7.055 3.635 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.895 5.145 3.057 1.00 0.00 H new ATOM 590 N PRO A 37 3.107 5.357 11.504 1.00 0.00 N ATOM 591 CA PRO A 37 3.378 5.743 12.878 1.00 0.00 C ATOM 592 C PRO A 37 4.694 6.517 12.981 1.00 0.00 C ATOM 593 O PRO A 37 5.095 6.925 14.069 1.00 0.00 O ATOM 594 CB PRO A 37 3.394 4.438 13.658 1.00 0.00 C ATOM 595 CG PRO A 37 3.594 3.339 12.627 1.00 0.00 C ATOM 596 CD PRO A 37 3.345 3.938 11.252 1.00 0.00 C ATOM 0 HA PRO A 37 2.626 6.422 13.280 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.197 4.433 14.395 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.461 4.297 14.203 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.605 2.936 12.690 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.909 2.512 12.813 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.202 3.791 10.595 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.487 3.473 10.767 1.00 0.00 H new ATOM 604 N SER A 38 5.329 6.696 11.832 1.00 0.00 N ATOM 605 CA SER A 38 6.592 7.413 11.779 1.00 0.00 C ATOM 606 C SER A 38 6.337 8.902 11.534 1.00 0.00 C ATOM 607 O SER A 38 7.093 9.750 12.005 1.00 0.00 O ATOM 608 CB SER A 38 7.503 6.844 10.690 1.00 0.00 C ATOM 609 OG SER A 38 8.881 7.072 10.974 1.00 0.00 O ATOM 0 H SER A 38 4.993 6.357 10.931 1.00 0.00 H new ATOM 0 HA SER A 38 7.097 7.290 12.737 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.325 5.773 10.592 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.250 7.298 9.732 1.00 0.00 H new ATOM 0 HG SER A 38 9.430 6.693 10.256 1.00 0.00 H new ATOM 615 N LEU A 39 5.270 9.174 10.797 1.00 0.00 N ATOM 616 CA LEU A 39 4.907 10.546 10.484 1.00 0.00 C ATOM 617 C LEU A 39 4.445 11.251 11.761 1.00 0.00 C ATOM 618 O LEU A 39 4.444 12.479 11.830 1.00 0.00 O ATOM 619 CB LEU A 39 3.876 10.582 9.354 1.00 0.00 C ATOM 620 CG LEU A 39 4.311 11.295 8.072 1.00 0.00 C ATOM 621 CD1 LEU A 39 4.075 12.803 8.176 1.00 0.00 C ATOM 622 CD2 LEU A 39 5.764 10.965 7.727 1.00 0.00 C ATOM 0 H LEU A 39 4.645 8.468 10.408 1.00 0.00 H new ATOM 0 HA LEU A 39 5.773 11.094 10.113 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.606 9.556 9.102 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.974 11.066 9.727 1.00 0.00 H new ATOM 0 HG LEU A 39 3.694 10.928 7.252 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.393 13.286 7.252 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.015 12.995 8.340 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.649 13.204 9.011 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.048 11.485 6.812 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.413 11.285 8.542 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.868 9.890 7.581 1.00 0.00 H new ATOM 634 N LEU A 40 4.064 10.443 12.739 1.00 0.00 N ATOM 635 CA LEU A 40 3.601 10.974 14.010 1.00 0.00 C ATOM 636 C LEU A 40 4.800 11.490 14.809 1.00 0.00 C ATOM 637 O LEU A 40 4.662 12.404 15.621 1.00 0.00 O ATOM 638 CB LEU A 40 2.769 9.929 14.756 1.00 0.00 C ATOM 639 CG LEU A 40 1.432 9.554 14.114 1.00 0.00 C ATOM 640 CD1 LEU A 40 0.880 8.260 14.714 1.00 0.00 C ATOM 641 CD2 LEU A 40 0.431 10.707 14.219 1.00 0.00 C ATOM 0 H LEU A 40 4.066 9.425 12.677 1.00 0.00 H new ATOM 0 HA LEU A 40 2.935 11.822 13.849 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.367 9.023 14.859 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.575 10.299 15.763 1.00 0.00 H new ATOM 0 HG LEU A 40 1.602 9.370 13.053 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.071 8.016 14.240 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.589 7.449 14.545 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.728 8.391 15.785 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.511 10.414 13.755 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.260 10.946 15.269 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.830 11.583 13.708 1.00 0.00 H new ATOM 653 N LYS A 41 5.948 10.883 14.551 1.00 0.00 N ATOM 654 CA LYS A 41 7.170 11.269 15.237 1.00 0.00 C ATOM 655 C LYS A 41 7.592 12.664 14.769 1.00 0.00 C ATOM 656 O LYS A 41 8.159 13.436 15.541 1.00 0.00 O ATOM 657 CB LYS A 41 8.251 10.204 15.047 1.00 0.00 C ATOM 658 CG LYS A 41 9.244 10.617 13.958 1.00 0.00 C ATOM 659 CD LYS A 41 10.280 9.518 13.715 1.00 0.00 C ATOM 660 CE LYS A 41 11.654 10.118 13.408 1.00 0.00 C ATOM 661 NZ LYS A 41 12.703 9.443 14.204 1.00 0.00 N ATOM 0 H LYS A 41 6.059 10.126 13.876 1.00 0.00 H new ATOM 0 HA LYS A 41 7.001 11.329 16.312 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.781 10.047 15.987 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.788 9.254 14.780 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.708 10.827 13.033 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.748 11.538 14.251 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.347 8.876 14.593 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.960 8.889 12.884 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.873 10.015 12.345 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.650 11.185 13.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.629 9.862 13.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.501 9.563 15.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.717 8.430 13.971 1.00 0.00 H new ATOM 675 N GLY A 42 7.300 12.943 13.507 1.00 0.00 N ATOM 676 CA GLY A 42 7.642 14.231 12.928 1.00 0.00 C ATOM 677 C GLY A 42 7.399 15.364 13.927 1.00 0.00 C ATOM 678 O GLY A 42 6.690 15.183 14.916 1.00 0.00 O ATOM 0 H GLY A 42 6.831 12.300 12.870 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.688 14.230 12.622 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.047 14.399 12.030 1.00 0.00 H new ATOM 682 N MET A 43 8.000 16.508 13.634 1.00 0.00 N ATOM 683 CA MET A 43 7.857 17.670 14.494 1.00 0.00 C ATOM 684 C MET A 43 6.448 18.259 14.391 1.00 0.00 C ATOM 685 O MET A 43 6.114 19.205 15.102 1.00 0.00 O ATOM 686 CB MET A 43 8.884 18.731 14.093 1.00 0.00 C ATOM 687 CG MET A 43 10.310 18.191 14.220 1.00 0.00 C ATOM 688 SD MET A 43 11.437 19.523 14.592 1.00 0.00 S ATOM 689 CE MET A 43 10.972 19.861 16.282 1.00 0.00 C ATOM 0 H MET A 43 8.587 16.655 12.813 1.00 0.00 H new ATOM 0 HA MET A 43 8.026 17.359 15.525 1.00 0.00 H new ATOM 0 HB2 MET A 43 8.702 19.049 13.066 1.00 0.00 H new ATOM 0 HB3 MET A 43 8.767 19.612 14.724 1.00 0.00 H new ATOM 0 HG2 MET A 43 10.353 17.437 15.006 1.00 0.00 H new ATOM 0 HG3 MET A 43 10.606 17.702 13.292 1.00 0.00 H new ATOM 0 HE1 MET A 43 11.837 20.234 16.830 1.00 0.00 H new ATOM 0 HE2 MET A 43 10.181 20.611 16.299 1.00 0.00 H new ATOM 0 HE3 MET A 43 10.614 18.945 16.751 1.00 0.00 H new ATOM 699 N SER A 44 5.660 17.673 13.502 1.00 0.00 N ATOM 700 CA SER A 44 4.296 18.127 13.297 1.00 0.00 C ATOM 701 C SER A 44 3.342 17.345 14.203 1.00 0.00 C ATOM 702 O SER A 44 2.945 16.228 13.874 1.00 0.00 O ATOM 703 CB SER A 44 3.879 17.977 11.833 1.00 0.00 C ATOM 704 OG SER A 44 4.626 18.836 10.975 1.00 0.00 O ATOM 0 H SER A 44 5.941 16.887 12.915 1.00 0.00 H new ATOM 0 HA SER A 44 4.246 19.185 13.554 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.018 16.942 11.521 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.817 18.200 11.734 1.00 0.00 H new ATOM 0 HG SER A 44 4.332 18.710 10.049 1.00 0.00 H new ATOM 710 N THR A 45 3.004 17.962 15.325 1.00 0.00 N ATOM 711 CA THR A 45 2.105 17.337 16.281 1.00 0.00 C ATOM 712 C THR A 45 0.741 17.078 15.639 1.00 0.00 C ATOM 713 O THR A 45 0.473 17.543 14.532 1.00 0.00 O ATOM 714 CB THR A 45 2.033 18.234 17.518 1.00 0.00 C ATOM 715 OG1 THR A 45 1.439 19.438 17.041 1.00 0.00 O ATOM 716 CG2 THR A 45 3.416 18.669 18.007 1.00 0.00 C ATOM 0 H THR A 45 3.336 18.888 15.594 1.00 0.00 H new ATOM 0 HA THR A 45 2.475 16.360 16.591 1.00 0.00 H new ATOM 0 HB THR A 45 1.514 17.706 18.318 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.353 20.076 17.780 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.308 19.304 18.887 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.004 17.788 18.265 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.922 19.225 17.218 1.00 0.00 H new ATOM 724 N LEU A 46 -0.086 16.336 16.361 1.00 0.00 N ATOM 725 CA LEU A 46 -1.416 16.009 15.875 1.00 0.00 C ATOM 726 C LEU A 46 -2.119 17.290 15.424 1.00 0.00 C ATOM 727 O LEU A 46 -2.443 17.444 14.248 1.00 0.00 O ATOM 728 CB LEU A 46 -2.193 15.220 16.931 1.00 0.00 C ATOM 729 CG LEU A 46 -3.183 14.181 16.399 1.00 0.00 C ATOM 730 CD1 LEU A 46 -2.507 12.821 16.220 1.00 0.00 C ATOM 731 CD2 LEU A 46 -4.420 14.093 17.296 1.00 0.00 C ATOM 0 H LEU A 46 0.139 15.952 17.279 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.354 15.356 15.004 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.476 14.713 17.577 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.739 15.927 17.555 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.521 14.504 15.415 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.232 12.101 15.841 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.684 12.914 15.511 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.122 12.477 17.180 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.107 13.348 16.896 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.119 13.805 18.303 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.916 15.063 17.329 1.00 0.00 H new ATOM 743 N ASP A 47 -2.334 18.178 16.384 1.00 0.00 N ATOM 744 CA ASP A 47 -2.993 19.442 16.101 1.00 0.00 C ATOM 745 C ASP A 47 -2.406 20.043 14.822 1.00 0.00 C ATOM 746 O ASP A 47 -3.142 20.394 13.902 1.00 0.00 O ATOM 747 CB ASP A 47 -2.776 20.443 17.237 1.00 0.00 C ATOM 748 CG ASP A 47 -4.019 21.233 17.650 1.00 0.00 C ATOM 749 OD1 ASP A 47 -4.851 21.491 16.753 1.00 0.00 O ATOM 750 OD2 ASP A 47 -4.110 21.560 18.853 1.00 0.00 O ATOM 0 H ASP A 47 -2.063 18.047 17.359 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.060 19.249 15.990 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.400 19.906 18.108 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -2.000 21.147 16.937 1.00 0.00 H new ATOM 755 N GLU A 48 -1.085 20.142 14.805 1.00 0.00 N ATOM 756 CA GLU A 48 -0.390 20.694 13.655 1.00 0.00 C ATOM 757 C GLU A 48 -0.779 19.934 12.385 1.00 0.00 C ATOM 758 O GLU A 48 -1.066 20.543 11.356 1.00 0.00 O ATOM 759 CB GLU A 48 1.125 20.670 13.865 1.00 0.00 C ATOM 760 CG GLU A 48 1.676 22.087 14.043 1.00 0.00 C ATOM 761 CD GLU A 48 3.121 22.179 13.549 1.00 0.00 C ATOM 762 OE1 GLU A 48 4.021 21.910 14.374 1.00 0.00 O ATOM 763 OE2 GLU A 48 3.293 22.516 12.358 1.00 0.00 O ATOM 0 H GLU A 48 -0.477 19.849 15.570 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.691 21.735 13.539 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.365 20.070 14.743 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.607 20.193 13.011 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.054 22.794 13.494 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.629 22.370 15.095 1.00 0.00 H new ATOM 770 N LEU A 49 -0.776 18.614 12.499 1.00 0.00 N ATOM 771 CA LEU A 49 -1.125 17.764 11.374 1.00 0.00 C ATOM 772 C LEU A 49 -2.592 17.991 11.004 1.00 0.00 C ATOM 773 O LEU A 49 -2.918 18.187 9.834 1.00 0.00 O ATOM 774 CB LEU A 49 -0.787 16.304 11.679 1.00 0.00 C ATOM 775 CG LEU A 49 -0.155 15.508 10.536 1.00 0.00 C ATOM 776 CD1 LEU A 49 1.358 15.725 10.487 1.00 0.00 C ATOM 777 CD2 LEU A 49 -0.519 14.025 10.633 1.00 0.00 C ATOM 0 H LEU A 49 -0.537 18.112 13.354 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.531 18.028 10.499 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.108 16.280 12.531 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.702 15.797 11.986 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.563 15.879 9.596 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.782 15.148 9.665 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.569 16.783 10.334 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.803 15.399 11.427 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.057 13.482 9.808 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.158 13.623 11.580 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.602 13.912 10.580 1.00 0.00 H new ATOM 789 N PHE A 50 -3.438 17.957 12.023 1.00 0.00 N ATOM 790 CA PHE A 50 -4.863 18.157 11.821 1.00 0.00 C ATOM 791 C PHE A 50 -5.134 19.478 11.098 1.00 0.00 C ATOM 792 O PHE A 50 -5.787 19.496 10.056 1.00 0.00 O ATOM 793 CB PHE A 50 -5.509 18.206 13.206 1.00 0.00 C ATOM 794 CG PHE A 50 -7.039 18.228 13.179 1.00 0.00 C ATOM 795 CD1 PHE A 50 -7.718 17.363 12.379 1.00 0.00 C ATOM 796 CD2 PHE A 50 -7.720 19.114 13.955 1.00 0.00 C ATOM 797 CE1 PHE A 50 -9.137 17.384 12.353 1.00 0.00 C ATOM 798 CE2 PHE A 50 -9.139 19.135 13.929 1.00 0.00 C ATOM 799 CZ PHE A 50 -9.818 18.269 13.129 1.00 0.00 C ATOM 0 H PHE A 50 -3.164 17.794 12.992 1.00 0.00 H new ATOM 0 HA PHE A 50 -5.269 17.350 11.211 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.178 17.341 13.781 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.152 19.092 13.731 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -7.177 16.660 11.763 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -7.181 19.801 14.591 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -9.676 16.697 11.717 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -9.680 19.839 14.544 1.00 0.00 H new ATOM 0 HZ PHE A 50 -10.898 18.284 13.110 1.00 0.00 H new ATOM 809 N GLU A 51 -4.618 20.551 11.679 1.00 0.00 N ATOM 810 CA GLU A 51 -4.796 21.873 11.104 1.00 0.00 C ATOM 811 C GLU A 51 -4.049 21.977 9.772 1.00 0.00 C ATOM 812 O GLU A 51 -4.555 22.564 8.817 1.00 0.00 O ATOM 813 CB GLU A 51 -4.337 22.961 12.076 1.00 0.00 C ATOM 814 CG GLU A 51 -2.816 22.945 12.239 1.00 0.00 C ATOM 815 CD GLU A 51 -2.131 23.637 11.058 1.00 0.00 C ATOM 816 OE1 GLU A 51 -2.740 24.592 10.530 1.00 0.00 O ATOM 817 OE2 GLU A 51 -1.014 23.195 10.712 1.00 0.00 O ATOM 0 H GLU A 51 -4.076 20.532 12.543 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.859 22.026 10.916 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.657 23.937 11.712 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.812 22.811 13.046 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.541 23.445 13.168 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.466 21.916 12.315 1.00 0.00 H new ATOM 824 N GLU A 52 -2.858 21.398 9.752 1.00 0.00 N ATOM 825 CA GLU A 52 -2.037 21.418 8.553 1.00 0.00 C ATOM 826 C GLU A 52 -2.780 20.759 7.389 1.00 0.00 C ATOM 827 O GLU A 52 -2.944 21.365 6.331 1.00 0.00 O ATOM 828 CB GLU A 52 -0.690 20.736 8.800 1.00 0.00 C ATOM 829 CG GLU A 52 0.097 20.587 7.496 1.00 0.00 C ATOM 830 CD GLU A 52 1.455 19.929 7.747 1.00 0.00 C ATOM 831 OE1 GLU A 52 1.991 20.138 8.857 1.00 0.00 O ATOM 832 OE2 GLU A 52 1.928 19.233 6.823 1.00 0.00 O ATOM 0 H GLU A 52 -2.442 20.912 10.546 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.839 22.457 8.290 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.109 21.319 9.515 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.852 19.754 9.245 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.476 19.988 6.788 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.242 21.567 7.041 1.00 0.00 H new ATOM 839 N LEU A 53 -3.209 19.528 7.624 1.00 0.00 N ATOM 840 CA LEU A 53 -3.930 18.781 6.608 1.00 0.00 C ATOM 841 C LEU A 53 -5.087 19.632 6.080 1.00 0.00 C ATOM 842 O LEU A 53 -5.164 19.907 4.884 1.00 0.00 O ATOM 843 CB LEU A 53 -4.368 17.420 7.153 1.00 0.00 C ATOM 844 CG LEU A 53 -3.243 16.486 7.607 1.00 0.00 C ATOM 845 CD1 LEU A 53 -3.718 15.561 8.729 1.00 0.00 C ATOM 846 CD2 LEU A 53 -2.669 15.704 6.424 1.00 0.00 C ATOM 0 H LEU A 53 -3.071 19.029 8.503 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.279 18.565 5.761 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.038 17.587 7.997 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.947 16.911 6.382 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.435 17.096 8.012 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.900 14.908 9.033 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.041 16.159 9.581 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.552 14.956 8.373 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.872 15.048 6.774 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.457 15.105 5.967 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.269 16.401 5.687 1.00 0.00 H new ATOM 858 N ASP A 54 -5.957 20.025 6.998 1.00 0.00 N ATOM 859 CA ASP A 54 -7.106 20.840 6.640 1.00 0.00 C ATOM 860 C ASP A 54 -6.622 22.188 6.103 1.00 0.00 C ATOM 861 O ASP A 54 -5.478 22.577 6.331 1.00 0.00 O ATOM 862 CB ASP A 54 -7.993 21.106 7.858 1.00 0.00 C ATOM 863 CG ASP A 54 -9.243 21.944 7.577 1.00 0.00 C ATOM 864 OD1 ASP A 54 -10.102 21.444 6.820 1.00 0.00 O ATOM 865 OD2 ASP A 54 -9.310 23.065 8.126 1.00 0.00 O ATOM 0 H ASP A 54 -5.890 19.794 7.989 1.00 0.00 H new ATOM 0 HA ASP A 54 -7.681 20.301 5.887 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.302 20.149 8.279 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -7.398 21.612 8.618 1.00 0.00 H new ATOM 870 N LYS A 55 -7.519 22.866 5.401 1.00 0.00 N ATOM 871 CA LYS A 55 -7.198 24.162 4.830 1.00 0.00 C ATOM 872 C LYS A 55 -8.482 24.828 4.333 1.00 0.00 C ATOM 873 O LYS A 55 -8.683 26.025 4.534 1.00 0.00 O ATOM 874 CB LYS A 55 -6.121 24.022 3.752 1.00 0.00 C ATOM 875 CG LYS A 55 -6.715 23.470 2.453 1.00 0.00 C ATOM 876 CD LYS A 55 -5.611 23.089 1.465 1.00 0.00 C ATOM 877 CE LYS A 55 -6.163 22.978 0.042 1.00 0.00 C ATOM 878 NZ LYS A 55 -5.066 23.056 -0.947 1.00 0.00 N ATOM 0 H LYS A 55 -8.468 22.541 5.215 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.772 24.817 5.590 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.662 24.992 3.563 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.331 23.359 4.106 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.329 22.597 2.672 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.370 24.216 2.002 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.818 23.836 1.494 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.165 22.140 1.761 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.699 22.036 -0.074 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.881 23.778 -0.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.458 22.979 -1.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.572 23.966 -0.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.395 22.278 -0.784 1.00 0.00 H new ATOM 892 N ASN A 56 -9.319 24.024 3.694 1.00 0.00 N ATOM 893 CA ASN A 56 -10.579 24.520 3.166 1.00 0.00 C ATOM 894 C ASN A 56 -11.359 25.211 4.287 1.00 0.00 C ATOM 895 O ASN A 56 -12.090 26.168 4.040 1.00 0.00 O ATOM 896 CB ASN A 56 -11.439 23.376 2.627 1.00 0.00 C ATOM 897 CG ASN A 56 -11.302 22.128 3.501 1.00 0.00 C ATOM 898 OD1 ASN A 56 -11.216 22.195 4.716 1.00 0.00 O ATOM 899 ND2 ASN A 56 -11.285 20.987 2.816 1.00 0.00 N ATOM 0 H ASN A 56 -9.149 23.032 3.530 1.00 0.00 H new ATOM 0 HA ASN A 56 -10.356 25.215 2.356 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -12.483 23.687 2.592 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -11.141 23.143 1.605 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -11.196 20.098 3.308 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -11.361 21.002 1.799 1.00 0.00 H new ATOM 906 N GLY A 57 -11.176 24.698 5.495 1.00 0.00 N ATOM 907 CA GLY A 57 -11.853 25.253 6.654 1.00 0.00 C ATOM 908 C GLY A 57 -13.234 24.620 6.838 1.00 0.00 C ATOM 909 O GLY A 57 -14.252 25.305 6.750 1.00 0.00 O ATOM 0 H GLY A 57 -10.568 23.904 5.696 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -11.250 25.085 7.547 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -11.956 26.332 6.537 1.00 0.00 H new ATOM 913 N ASP A 58 -13.225 23.319 7.089 1.00 0.00 N ATOM 914 CA ASP A 58 -14.464 22.586 7.285 1.00 0.00 C ATOM 915 C ASP A 58 -14.299 21.621 8.461 1.00 0.00 C ATOM 916 O ASP A 58 -15.108 21.623 9.388 1.00 0.00 O ATOM 917 CB ASP A 58 -14.819 21.763 6.045 1.00 0.00 C ATOM 918 CG ASP A 58 -13.622 21.198 5.278 1.00 0.00 C ATOM 919 OD1 ASP A 58 -12.673 20.750 5.957 1.00 0.00 O ATOM 920 OD2 ASP A 58 -13.683 21.228 4.030 1.00 0.00 O ATOM 0 H ASP A 58 -12.379 22.754 7.161 1.00 0.00 H new ATOM 0 HA ASP A 58 -15.257 23.309 7.477 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -15.460 20.935 6.348 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -15.403 22.387 5.368 1.00 0.00 H new ATOM 925 N GLY A 59 -13.246 20.820 8.385 1.00 0.00 N ATOM 926 CA GLY A 59 -12.966 19.852 9.432 1.00 0.00 C ATOM 927 C GLY A 59 -12.832 18.442 8.854 1.00 0.00 C ATOM 928 O GLY A 59 -12.619 17.482 9.592 1.00 0.00 O ATOM 0 H GLY A 59 -12.577 20.822 7.615 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -12.046 20.126 9.949 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -13.765 19.871 10.173 1.00 0.00 H new ATOM 932 N GLU A 60 -12.963 18.362 7.538 1.00 0.00 N ATOM 933 CA GLU A 60 -12.860 17.085 6.851 1.00 0.00 C ATOM 934 C GLU A 60 -11.521 16.983 6.119 1.00 0.00 C ATOM 935 O GLU A 60 -11.214 17.808 5.260 1.00 0.00 O ATOM 936 CB GLU A 60 -14.030 16.886 5.885 1.00 0.00 C ATOM 937 CG GLU A 60 -15.347 17.337 6.519 1.00 0.00 C ATOM 938 CD GLU A 60 -15.995 18.456 5.700 1.00 0.00 C ATOM 939 OE1 GLU A 60 -15.232 19.175 5.018 1.00 0.00 O ATOM 940 OE2 GLU A 60 -17.237 18.568 5.774 1.00 0.00 O ATOM 0 H GLU A 60 -13.140 19.161 6.929 1.00 0.00 H new ATOM 0 HA GLU A 60 -12.907 16.289 7.595 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -13.851 17.450 4.970 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -14.099 15.835 5.603 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -16.030 16.490 6.589 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -15.165 17.684 7.536 1.00 0.00 H new ATOM 947 N VAL A 61 -10.759 15.963 6.487 1.00 0.00 N ATOM 948 CA VAL A 61 -9.459 15.742 5.875 1.00 0.00 C ATOM 949 C VAL A 61 -9.595 14.703 4.761 1.00 0.00 C ATOM 950 O VAL A 61 -8.861 13.716 4.735 1.00 0.00 O ATOM 951 CB VAL A 61 -8.439 15.343 6.944 1.00 0.00 C ATOM 952 CG1 VAL A 61 -7.144 14.840 6.305 1.00 0.00 C ATOM 953 CG2 VAL A 61 -8.164 16.505 7.900 1.00 0.00 C ATOM 0 H VAL A 61 -11.016 15.281 7.200 1.00 0.00 H new ATOM 0 HA VAL A 61 -9.090 16.661 5.419 1.00 0.00 H new ATOM 0 HB VAL A 61 -8.865 14.525 7.525 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.436 14.563 7.086 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.358 13.970 5.685 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.713 15.628 5.688 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.436 16.195 8.650 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.769 17.352 7.339 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.091 16.797 8.393 1.00 0.00 H new ATOM 963 N SER A 62 -10.538 14.960 3.867 1.00 0.00 N ATOM 964 CA SER A 62 -10.779 14.060 2.752 1.00 0.00 C ATOM 965 C SER A 62 -9.453 13.683 2.088 1.00 0.00 C ATOM 966 O SER A 62 -8.429 14.318 2.334 1.00 0.00 O ATOM 967 CB SER A 62 -11.726 14.690 1.729 1.00 0.00 C ATOM 968 OG SER A 62 -12.260 15.929 2.189 1.00 0.00 O ATOM 0 H SER A 62 -11.145 15.779 3.892 1.00 0.00 H new ATOM 0 HA SER A 62 -11.254 13.158 3.137 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.193 14.850 0.792 1.00 0.00 H new ATOM 0 HB3 SER A 62 -12.542 14.000 1.517 1.00 0.00 H new ATOM 0 HG SER A 62 -11.668 16.661 1.918 1.00 0.00 H new ATOM 974 N PHE A 63 -9.516 12.652 1.258 1.00 0.00 N ATOM 975 CA PHE A 63 -8.333 12.183 0.556 1.00 0.00 C ATOM 976 C PHE A 63 -7.597 13.345 -0.114 1.00 0.00 C ATOM 977 O PHE A 63 -6.372 13.326 -0.226 1.00 0.00 O ATOM 978 CB PHE A 63 -8.810 11.208 -0.522 1.00 0.00 C ATOM 979 CG PHE A 63 -7.722 10.258 -1.026 1.00 0.00 C ATOM 980 CD1 PHE A 63 -7.114 9.400 -0.163 1.00 0.00 C ATOM 981 CD2 PHE A 63 -7.363 10.271 -2.338 1.00 0.00 C ATOM 982 CE1 PHE A 63 -6.105 8.518 -0.632 1.00 0.00 C ATOM 983 CE2 PHE A 63 -6.353 9.389 -2.806 1.00 0.00 C ATOM 984 CZ PHE A 63 -5.745 8.531 -1.943 1.00 0.00 C ATOM 0 H PHE A 63 -10.368 12.128 1.056 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.647 11.709 1.258 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -9.637 10.619 -0.125 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -9.200 11.777 -1.366 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -7.399 9.390 0.879 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -7.846 10.952 -3.023 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.623 7.836 0.053 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.068 9.399 -3.848 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.977 7.861 -2.299 1.00 0.00 H new ATOM 994 N GLU A 64 -8.375 14.329 -0.542 1.00 0.00 N ATOM 995 CA GLU A 64 -7.812 15.497 -1.197 1.00 0.00 C ATOM 996 C GLU A 64 -6.667 16.074 -0.363 1.00 0.00 C ATOM 997 O GLU A 64 -5.553 16.238 -0.859 1.00 0.00 O ATOM 998 CB GLU A 64 -8.888 16.553 -1.455 1.00 0.00 C ATOM 999 CG GLU A 64 -9.901 16.595 -0.309 1.00 0.00 C ATOM 1000 CD GLU A 64 -10.089 18.024 0.203 1.00 0.00 C ATOM 1001 OE1 GLU A 64 -9.889 18.951 -0.612 1.00 0.00 O ATOM 1002 OE2 GLU A 64 -10.429 18.158 1.399 1.00 0.00 O ATOM 0 H GLU A 64 -9.391 14.341 -0.448 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.412 15.189 -2.163 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.422 17.532 -1.569 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -9.401 16.333 -2.391 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -10.857 16.198 -0.649 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.561 15.955 0.505 1.00 0.00 H new ATOM 1009 N GLU A 65 -6.979 16.365 0.891 1.00 0.00 N ATOM 1010 CA GLU A 65 -5.991 16.921 1.800 1.00 0.00 C ATOM 1011 C GLU A 65 -4.950 15.860 2.164 1.00 0.00 C ATOM 1012 O GLU A 65 -3.797 16.186 2.441 1.00 0.00 O ATOM 1013 CB GLU A 65 -6.656 17.489 3.055 1.00 0.00 C ATOM 1014 CG GLU A 65 -7.664 18.582 2.693 1.00 0.00 C ATOM 1015 CD GLU A 65 -7.129 19.966 3.066 1.00 0.00 C ATOM 1016 OE1 GLU A 65 -5.986 20.261 2.656 1.00 0.00 O ATOM 1017 OE2 GLU A 65 -7.876 20.697 3.752 1.00 0.00 O ATOM 0 H GLU A 65 -7.903 16.226 1.300 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.484 17.743 1.295 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -7.160 16.689 3.598 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.896 17.896 3.721 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.877 18.546 1.625 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -8.605 18.400 3.212 1.00 0.00 H new ATOM 1024 N PHE A 66 -5.394 14.612 2.151 1.00 0.00 N ATOM 1025 CA PHE A 66 -4.515 13.501 2.476 1.00 0.00 C ATOM 1026 C PHE A 66 -3.317 13.453 1.525 1.00 0.00 C ATOM 1027 O PHE A 66 -2.202 13.143 1.941 1.00 0.00 O ATOM 1028 CB PHE A 66 -5.334 12.220 2.311 1.00 0.00 C ATOM 1029 CG PHE A 66 -4.726 10.999 3.005 1.00 0.00 C ATOM 1030 CD1 PHE A 66 -4.372 11.068 4.316 1.00 0.00 C ATOM 1031 CD2 PHE A 66 -4.540 9.845 2.311 1.00 0.00 C ATOM 1032 CE1 PHE A 66 -3.808 9.936 4.960 1.00 0.00 C ATOM 1033 CE2 PHE A 66 -3.976 8.712 2.955 1.00 0.00 C ATOM 1034 CZ PHE A 66 -3.621 8.781 4.266 1.00 0.00 C ATOM 0 H PHE A 66 -6.351 14.345 1.920 1.00 0.00 H new ATOM 0 HA PHE A 66 -4.134 13.612 3.491 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -6.336 12.388 2.706 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -5.442 12.005 1.248 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.520 11.985 4.868 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.821 9.790 1.270 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.527 9.992 6.001 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.829 7.795 2.403 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.191 7.920 4.756 1.00 0.00 H new ATOM 1044 N GLN A 67 -3.589 13.764 0.266 1.00 0.00 N ATOM 1045 CA GLN A 67 -2.548 13.760 -0.747 1.00 0.00 C ATOM 1046 C GLN A 67 -1.447 14.756 -0.381 1.00 0.00 C ATOM 1047 O GLN A 67 -0.357 14.719 -0.950 1.00 0.00 O ATOM 1048 CB GLN A 67 -3.128 14.066 -2.130 1.00 0.00 C ATOM 1049 CG GLN A 67 -4.235 13.075 -2.492 1.00 0.00 C ATOM 1050 CD GLN A 67 -4.305 12.860 -4.006 1.00 0.00 C ATOM 1051 OE1 GLN A 67 -4.030 13.746 -4.798 1.00 0.00 O ATOM 1052 NE2 GLN A 67 -4.688 11.637 -4.361 1.00 0.00 N ATOM 0 H GLN A 67 -4.515 14.020 -0.075 1.00 0.00 H new ATOM 0 HA GLN A 67 -2.109 12.763 -0.786 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -3.525 15.081 -2.145 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -2.336 14.022 -2.878 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -4.053 12.123 -1.994 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -5.193 13.446 -2.129 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -4.903 10.942 -3.646 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.766 11.394 -5.348 1.00 0.00 H new ATOM 1061 N VAL A 68 -1.769 15.624 0.567 1.00 0.00 N ATOM 1062 CA VAL A 68 -0.821 16.629 1.016 1.00 0.00 C ATOM 1063 C VAL A 68 0.220 15.972 1.925 1.00 0.00 C ATOM 1064 O VAL A 68 1.396 16.329 1.887 1.00 0.00 O ATOM 1065 CB VAL A 68 -1.563 17.783 1.694 1.00 0.00 C ATOM 1066 CG1 VAL A 68 -0.606 18.929 2.026 1.00 0.00 C ATOM 1067 CG2 VAL A 68 -2.725 18.272 0.827 1.00 0.00 C ATOM 0 H VAL A 68 -2.674 15.652 1.037 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.288 17.057 0.167 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.978 17.411 2.631 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.158 19.736 2.507 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.172 18.570 2.700 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.149 19.299 1.108 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.236 19.092 1.332 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.342 18.619 -0.133 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.426 17.454 0.663 1.00 0.00 H new ATOM 1077 N LEU A 69 -0.251 15.023 2.721 1.00 0.00 N ATOM 1078 CA LEU A 69 0.624 14.313 3.637 1.00 0.00 C ATOM 1079 C LEU A 69 1.495 13.332 2.849 1.00 0.00 C ATOM 1080 O LEU A 69 2.648 13.096 3.204 1.00 0.00 O ATOM 1081 CB LEU A 69 -0.189 13.653 4.752 1.00 0.00 C ATOM 1082 CG LEU A 69 0.506 13.535 6.110 1.00 0.00 C ATOM 1083 CD1 LEU A 69 1.028 14.894 6.579 1.00 0.00 C ATOM 1084 CD2 LEU A 69 -0.418 12.888 7.145 1.00 0.00 C ATOM 0 H LEU A 69 -1.227 14.730 2.750 1.00 0.00 H new ATOM 0 HA LEU A 69 1.298 15.010 4.135 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.111 14.219 4.886 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.474 12.653 4.424 1.00 0.00 H new ATOM 0 HG LEU A 69 1.370 12.880 5.995 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.517 14.782 7.546 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.744 15.279 5.853 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.195 15.591 6.672 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.100 12.816 8.101 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.315 13.497 7.263 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.699 11.890 6.809 1.00 0.00 H new ATOM 1096 N VAL A 70 0.908 12.788 1.792 1.00 0.00 N ATOM 1097 CA VAL A 70 1.616 11.839 0.950 1.00 0.00 C ATOM 1098 C VAL A 70 2.941 12.455 0.496 1.00 0.00 C ATOM 1099 O VAL A 70 3.890 11.736 0.187 1.00 0.00 O ATOM 1100 CB VAL A 70 0.725 11.409 -0.217 1.00 0.00 C ATOM 1101 CG1 VAL A 70 1.567 10.949 -1.409 1.00 0.00 C ATOM 1102 CG2 VAL A 70 -0.257 10.318 0.215 1.00 0.00 C ATOM 0 H VAL A 70 -0.049 12.987 1.500 1.00 0.00 H new ATOM 0 HA VAL A 70 1.854 10.935 1.510 1.00 0.00 H new ATOM 0 HB VAL A 70 0.144 12.276 -0.532 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.909 10.649 -2.225 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.206 11.767 -1.740 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.186 10.103 -1.112 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.878 10.031 -0.633 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.297 9.449 0.569 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.891 10.696 1.017 1.00 0.00 H new ATOM 1112 N LYS A 71 2.962 13.779 0.469 1.00 0.00 N ATOM 1113 CA LYS A 71 4.154 14.500 0.057 1.00 0.00 C ATOM 1114 C LYS A 71 5.232 14.351 1.133 1.00 0.00 C ATOM 1115 O LYS A 71 6.401 14.130 0.819 1.00 0.00 O ATOM 1116 CB LYS A 71 3.814 15.955 -0.274 1.00 0.00 C ATOM 1117 CG LYS A 71 4.600 16.437 -1.495 1.00 0.00 C ATOM 1118 CD LYS A 71 5.781 17.314 -1.075 1.00 0.00 C ATOM 1119 CE LYS A 71 5.794 18.629 -1.857 1.00 0.00 C ATOM 1120 NZ LYS A 71 6.760 18.557 -2.976 1.00 0.00 N ATOM 0 H LYS A 71 2.172 14.372 0.726 1.00 0.00 H new ATOM 0 HA LYS A 71 4.557 14.074 -0.862 1.00 0.00 H new ATOM 0 HB2 LYS A 71 2.745 16.048 -0.465 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.041 16.589 0.583 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.963 15.579 -2.061 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.942 17.000 -2.157 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.722 17.523 -0.007 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.715 16.778 -1.243 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.797 18.839 -2.243 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.059 19.452 -1.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.756 19.457 -3.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.713 18.378 -2.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.490 17.785 -3.618 1.00 0.00 H new ATOM 1134 N LYS A 72 4.801 14.477 2.379 1.00 0.00 N ATOM 1135 CA LYS A 72 5.714 14.358 3.503 1.00 0.00 C ATOM 1136 C LYS A 72 6.171 12.904 3.632 1.00 0.00 C ATOM 1137 O LYS A 72 7.324 12.640 3.970 1.00 0.00 O ATOM 1138 CB LYS A 72 5.073 14.917 4.775 1.00 0.00 C ATOM 1139 CG LYS A 72 4.921 16.437 4.691 1.00 0.00 C ATOM 1140 CD LYS A 72 6.281 17.130 4.793 1.00 0.00 C ATOM 1141 CE LYS A 72 6.160 18.470 5.523 1.00 0.00 C ATOM 1142 NZ LYS A 72 7.315 19.339 5.205 1.00 0.00 N ATOM 0 H LYS A 72 3.831 14.660 2.635 1.00 0.00 H new ATOM 0 HA LYS A 72 6.607 14.959 3.333 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.096 14.458 4.926 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.684 14.656 5.639 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.441 16.707 3.750 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.270 16.786 5.493 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.983 16.485 5.322 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.687 17.291 3.794 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.234 18.966 5.234 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.109 18.302 6.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.217 20.244 5.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.194 18.870 5.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.346 19.514 4.180 1.00 0.00 H new ATOM 1156 N ILE A 73 5.244 11.999 3.356 1.00 0.00 N ATOM 1157 CA ILE A 73 5.538 10.578 3.437 1.00 0.00 C ATOM 1158 C ILE A 73 6.392 10.169 2.235 1.00 0.00 C ATOM 1159 O ILE A 73 6.880 9.042 2.171 1.00 0.00 O ATOM 1160 CB ILE A 73 4.245 9.771 3.576 1.00 0.00 C ATOM 1161 CG1 ILE A 73 3.443 10.227 4.797 1.00 0.00 C ATOM 1162 CG2 ILE A 73 4.538 8.270 3.611 1.00 0.00 C ATOM 1163 CD1 ILE A 73 1.939 10.132 4.531 1.00 0.00 C ATOM 0 H ILE A 73 4.289 12.222 3.076 1.00 0.00 H new ATOM 0 HA ILE A 73 6.121 10.360 4.332 1.00 0.00 H new ATOM 0 HB ILE A 73 3.628 9.959 2.697 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.703 9.612 5.658 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.708 11.254 5.048 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.603 7.719 3.710 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.037 7.975 2.688 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.184 8.045 4.460 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.392 10.462 5.414 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.678 10.767 3.684 1.00 0.00 H new ATOM 0 HD13 ILE A 73 1.674 9.099 4.305 1.00 0.00 H new ATOM 1175 N SER A 74 6.546 11.107 1.312 1.00 0.00 N ATOM 1176 CA SER A 74 7.332 10.858 0.116 1.00 0.00 C ATOM 1177 C SER A 74 8.793 11.241 0.361 1.00 0.00 C ATOM 1178 O SER A 74 9.703 10.501 -0.011 1.00 0.00 O ATOM 1179 CB SER A 74 6.774 11.632 -1.081 1.00 0.00 C ATOM 1180 OG SER A 74 7.263 11.125 -2.319 1.00 0.00 O ATOM 0 H SER A 74 6.140 12.041 1.369 1.00 0.00 H new ATOM 0 HA SER A 74 7.276 9.794 -0.115 1.00 0.00 H new ATOM 0 HB2 SER A 74 5.685 11.578 -1.072 1.00 0.00 H new ATOM 0 HB3 SER A 74 7.042 12.685 -0.989 1.00 0.00 H new ATOM 0 HG SER A 74 6.883 11.644 -3.058 1.00 0.00 H new ATOM 1186 N GLN A 75 8.972 12.396 0.985 1.00 0.00 N ATOM 1187 CA GLN A 75 10.307 12.885 1.284 1.00 0.00 C ATOM 1188 C GLN A 75 10.956 12.026 2.371 1.00 0.00 C ATOM 1189 O GLN A 75 12.098 11.592 2.226 1.00 0.00 O ATOM 1190 CB GLN A 75 10.271 14.358 1.697 1.00 0.00 C ATOM 1191 CG GLN A 75 11.344 15.161 0.959 1.00 0.00 C ATOM 1192 CD GLN A 75 10.859 15.576 -0.431 1.00 0.00 C ATOM 1193 OE1 GLN A 75 11.478 15.294 -1.444 1.00 0.00 O ATOM 1194 NE2 GLN A 75 9.719 16.261 -0.423 1.00 0.00 N ATOM 0 H GLN A 75 8.215 13.007 1.292 1.00 0.00 H new ATOM 0 HA GLN A 75 10.912 12.810 0.380 1.00 0.00 H new ATOM 0 HB2 GLN A 75 9.287 14.776 1.482 1.00 0.00 H new ATOM 0 HB3 GLN A 75 10.425 14.442 2.773 1.00 0.00 H new ATOM 0 HG2 GLN A 75 11.602 16.048 1.538 1.00 0.00 H new ATOM 0 HG3 GLN A 75 12.252 14.564 0.868 1.00 0.00 H new ATOM 0 HE21 GLN A 75 9.252 16.463 0.461 1.00 0.00 H new ATOM 0 HE22 GLN A 75 9.312 16.584 -1.301 1.00 0.00 H new TER 1203 GLN A 75 HETATM 1204 LA LA A 105 -11.173 19.942 4.380 1.00 0.00 LA